| SpectraBase Spectrum ID |
F0Uf48Qt4YR |
| Name |
Benzoic acid, 3-formyl-2,4-dihydroxy-6-methyl-, (3,5-dihydroxy-4-methylphenyl)methyl ester |
| CAS Registry Number |
55483-02-8 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H16O7 |
| InChI |
InChI=1S/C17H16O7/c1-8-3-14(21)11(6-18)16(22)15(8)17(23)24-7-10-4-12(19)9(2)13(20)5-10/h3-6,19-22H,7H2,1-2H3 |
| InChIKey |
OFGVBNPUDVPMGT-UHFFFAOYSA-N |
| Molecular Weight |
332.308 g/mol |
| SMILES |
Oc1c(c(c(C(OCc2cc(c(c(c2)O)C)O)=O)c(c1)C)O)C=O |
| SPLASH |
splash10-000i-0900000000-6fbad19f77a32c58ec4d |
| Source of Spectrum |
B-40-1849-5 |
| Synonyms |
(Alectorialin)
3,5-Dihydroxy-4-methylbenzyl 3-formyl-2,4-dihydroxy-6-methylbenzoate
Decarboxyalectorialic acid |
| Wiley ID |
1329259 |
